General Information of the Compound
| Compound ID |
CP0458894
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| Compound Name |
(E,E)-N,N'-bis[[4-[[2-[[(4-amino-2-methylquinolin-6-yl)amino]carbonyl]phenyl]methoxy]phenyl]methylene]-1,5-pentanediamine
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| Formula |
C55H52N8O4
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| Molecular Weight |
889.073
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
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| InChI |
InChI=1S/C55H52N8O4/c1-36-28-50(56)48-30-42(18-24-52(48)60-36)62-54(64)46-12-6-4-10-40(46)34-66-44-20-14-38(15-21-44)32-58-26-8-3-9-27-59-33-39-16-22-45(23-17-39)67-35-41-11-5-7-13-47(41)55(65)63-43-19-25-53-49(31-43)51(57)29-37(2)61-53/h4-7,10-25,28-33H,3,8-9,26-27,34-35H2,1-2H3,(H2,56,60)(H2,57,61)(H,62,64)(H,63,65)/b58-32+,59-33+
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| InChIKey |
VQJQNTQEROMKBY-WHBZDRFFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound